CFam Chemical Families Database
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You are searching for "CFAMM00436078" in compound.

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CFAM Mol ID CFAMM00436078
Family CFFBM15827 Muscarinic acetylcholine receptor M2 ligand 4-[2-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]-1,3-dioxolan-2-yl]-1-(1-propylsulfonylpiperidin-4-yl)piperidine family
Superfamily CFSBM4012 Muscarinic acetylcholine receptor M2 Binder Superfamily 3
Class CFCBM185 Class 3235
External ID CHEMBL90507 External Source CHEMBL
PubChem CID 44325034 Functional Category Bioactive
Molecule Name 4-[(4R,5R)-2-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]-4,5-dimethyl-1,3-dioxolan-2-yl]-1-(1-propylsulfonylpiperidin-4-yl)piperidine
IUPAC Name 4-[(4R,5R)-2-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]-4,5-dimethyl-1,3-dioxolan-2-yl]-1-(1-propylsulfonylpiperidin-4-yl)piperidine
Synonyms CHEBI:249241
InChi InChI=1S/C31H42N2O8S2/c1-4-19-42(34,35)33-17-13-26(14-18-33)32-15-11-25(12-16-32)31(40-22(2)23(3)41-31)24-5-7-27(8-6-24)43(36,37)28-9-10-29-30(20-28)39-21-38-29/h5-10,20,22-23,25-26H,4,11-19,21H2,1-3H3/t22-,23-/m1/s1
InChiKey QWIBHYUDAZKJRB-DHIUTWEWSA-N
Formula C31H42N2O8S2 Molecular Weight 634.80
Cross Link CHEMBL90507
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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